SCHEMBL757529

SCHEMBL757529

CC(C)COc1ccc(Cl)c(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.52
ORAI1 Q96D31 2/20 0.52
ORAI3 Q9BRQ5 1/20 0.52
SMN1; SMN2 Q16637 8/20 0.47
NPSR1 Q6W5P4 6/20 0.47
LMNA P02545 6/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
STAT3 P40763 2/20 0.47
EGFR P00533 1/20 0.45
GAA P10253 2/20 0.44
NFKB1 P19838 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL754976 0.88 STIM1 (0.53) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL758366 0.88 STIM1 (0.56) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL759218 0.88 STIM1 (0.62) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL760701 0.88 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL758074 0.86 STIM1 (0.70) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL758338 0.86 SMN1; SMN2 (0.59) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL30534428 0.85 STIM1 (0.51) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL757736 0.85 STIM1 (0.51) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL757451 0.84 PTGER1 (0.57) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL7893967 0.83 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US claimed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US claimed
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.